data_17489 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17489 _Entry.Title ; 1H, 13C, and 15N Chemical Shift Assignments for the FF domain L24A mutant ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-02-24 _Entry.Accession_date 2011-02-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Dmitry Korzhnev . M. . 17489 2 Robert Vernon . M. . 17489 3 Tomasz Religa . L. . 17489 4 Alex Hansen . . . 17489 5 David Baker . . . 17489 6 Alan Fersht . R. . 17489 7 Lewis Kay . E. . 17489 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17489 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN . 17489 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17489 RDCs 1 17489 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 205 17489 '15N chemical shifts' 113 17489 '1H chemical shifts' 210 17489 'residual dipolar couplings' 45 17489 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-03-08 2011-02-24 update BMRB 'update entry citation' 17489 1 . . 2011-06-07 2011-02-24 original author 'original release' 17489 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L9V 'BMRB Entry Tracking System' 17489 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17489 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 21639149 _Citation.Full_citation . _Citation.Title 'Nonnative interactions in the FF domain folding pathway from an atomic resolution structure of a sparsely populated intermediate: an NMR relaxation dispersion study.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Am. Chem. Soc.' _Citation.Journal_name_full 'Journal of the American Chemical Society' _Citation.Journal_volume 133 _Citation.Journal_issue 28 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 10974 _Citation.Page_last 10982 _Citation.Year 2011 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Dmitry Korzhnev . M. . 17489 1 2 Robert Vernon . M. . 17489 1 3 Tomasz Religa . L. . 17489 1 4 Alexandar Hansen . L. . 17489 1 5 David Baker . . . 17489 1 6 Alan Fersht . R. . 17489 1 7 Lewis Kay . E. . 17489 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17489 _Assembly.ID 1 _Assembly.Name 'FF domain L24A mutant' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 FF_Domain_L24A 1 $FF_Domain_L24A A . yes native no no . . . 17489 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FF_Domain_L24A _Entity.Sf_category entity _Entity.Sf_framecode FF_Domain_L24A _Entity.Entry_ID 17489 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FF_Domain_L24A _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SQPAKKTYTWNTKEEAKQAF KEALKEKRVPSNASWEQAMK MIINDPRYSALAKLSEKKQA FNAYKVQTEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5734.680 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18010 . FF11-60 . . . . . 70.00 50 97.96 97.96 1.02e-23 . . . . 17489 1 2 no BMRB 19591 . FF_domain_L24A_mutant . . . . . 100.00 71 100.00 100.00 1.73e-40 . . . . 17489 1 3 no BMRB 26520 . A39G_FF . . . . . 100.00 71 98.57 98.57 1.16e-39 . . . . 17489 1 4 no PDB 1UZC . "The Structure Of An Ff Domain From Human HypaFBP11" . . . . . 100.00 71 98.57 98.57 1.07e-39 . . . . 17489 1 5 no PDB 2KZG . "A Transient And Low Populated Protein Folding Intermediate At Atomic Resolution" . . . . . 100.00 71 98.57 98.57 1.07e-39 . . . . 17489 1 6 no PDB 2L9V . "Nmr Structure Of The Ff Domain L24a Mutant's Folding Transition State" . . . . . 70.00 49 100.00 100.00 7.45e-25 . . . . 17489 1 7 no PDB 2LKS . Ff11-60 . . . . . 70.00 50 97.96 97.96 1.02e-23 . . . . 17489 1 8 no DBJ BAB15016 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 323 98.57 98.57 5.00e-38 . . . . 17489 1 9 no DBJ BAG60744 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 816 98.57 98.57 1.40e-36 . . . . 17489 1 10 no GB AAC27501 . "huntingtin-interacting protein HYPA/FBP11 [Homo sapiens]" . . . . . 97.14 423 97.06 97.06 3.25e-36 . . . . 17489 1 11 no GB AAC27506 . "huntingtin-interacting protein HYPA/FBP11 [Homo sapiens]" . . . . . 97.14 452 97.06 97.06 4.46e-36 . . . . 17489 1 12 no GB AAD39463 . "formin binding protein 11 [Mus musculus]" . . . . . 100.00 953 98.57 98.57 2.45e-36 . . . . 17489 1 13 no GB AAH11788 . "PRPF40A protein, partial [Homo sapiens]" . . . . . 100.00 411 97.14 98.57 3.41e-37 . . . . 17489 1 14 no GB AAH29414 . "PRPF40A protein, partial [Homo sapiens]" . . . . . 95.71 414 98.51 98.51 6.55e-36 . . . . 17489 1 15 no REF NP_001099950 . "pre-mRNA-processing factor 40 homolog A [Rattus norvegicus]" . . . . . 100.00 953 98.57 98.57 2.59e-36 . . . . 17489 1 16 no REF NP_001231502 . "pre-mRNA-processing factor 40 homolog A [Sus scrofa]" . . . . . 98.57 957 98.55 98.55 8.22e-36 . . . . 17489 1 17 no REF NP_060362 . "pre-mRNA-processing factor 40 homolog A [Homo sapiens]" . . . . . 100.00 930 98.57 98.57 2.03e-36 . . . . 17489 1 18 no REF NP_061255 . "pre-mRNA-processing factor 40 homolog A [Mus musculus]" . . . . . 100.00 953 98.57 98.57 2.45e-36 . . . . 17489 1 19 no REF XP_001365479 . "PREDICTED: pre-mRNA-processing factor 40 homolog A isoform X1 [Monodelphis domestica]" . . . . . 100.00 1038 98.57 98.57 2.97e-36 . . . . 17489 1 20 no SP O75400 . "RecName: Full=Pre-mRNA-processing factor 40 homolog A; AltName: Full=Fas ligand-associated factor 1; AltName: Full=Formin-bindi" . . . . . 100.00 957 98.57 98.57 2.28e-36 . . . . 17489 1 21 no SP Q9R1C7 . "RecName: Full=Pre-mRNA-processing factor 40 homolog A; AltName: Full=Formin-binding protein 11; Short=FBP-11; AltName: Full=For" . . . . . 100.00 953 98.57 98.57 2.45e-36 . . . . 17489 1 22 no TPG DAA32724 . "TPA: formin binding protein 3-like [Bos taurus]" . . . . . 100.00 929 98.57 98.57 2.02e-36 . . . . 17489 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 2 SER . 17489 1 2 3 GLN . 17489 1 3 4 PRO . 17489 1 4 5 ALA . 17489 1 5 6 LYS . 17489 1 6 7 LYS . 17489 1 7 8 THR . 17489 1 8 9 TYR . 17489 1 9 10 THR . 17489 1 10 11 TRP . 17489 1 11 12 ASN . 17489 1 12 13 THR . 17489 1 13 14 LYS . 17489 1 14 15 GLU . 17489 1 15 16 GLU . 17489 1 16 17 ALA . 17489 1 17 18 LYS . 17489 1 18 19 GLN . 17489 1 19 20 ALA . 17489 1 20 21 PHE . 17489 1 21 22 LYS . 17489 1 22 23 GLU . 17489 1 23 24 ALA . 17489 1 24 25 LEU . 17489 1 25 26 LYS . 17489 1 26 27 GLU . 17489 1 27 28 LYS . 17489 1 28 29 ARG . 17489 1 29 30 VAL . 17489 1 30 31 PRO . 17489 1 31 32 SER . 17489 1 32 33 ASN . 17489 1 33 34 ALA . 17489 1 34 35 SER . 17489 1 35 36 TRP . 17489 1 36 37 GLU . 17489 1 37 38 GLN . 17489 1 38 39 ALA . 17489 1 39 40 MET . 17489 1 40 41 LYS . 17489 1 41 42 MET . 17489 1 42 43 ILE . 17489 1 43 44 ILE . 17489 1 44 45 ASN . 17489 1 45 46 ASP . 17489 1 46 47 PRO . 17489 1 47 48 ARG . 17489 1 48 49 TYR . 17489 1 49 50 SER . 17489 1 50 51 ALA . 17489 1 51 52 LEU . 17489 1 52 53 ALA . 17489 1 53 54 LYS . 17489 1 54 55 LEU . 17489 1 55 56 SER . 17489 1 56 57 GLU . 17489 1 57 58 LYS . 17489 1 58 59 LYS . 17489 1 59 60 GLN . 17489 1 60 61 ALA . 17489 1 61 62 PHE . 17489 1 62 63 ASN . 17489 1 63 64 ALA . 17489 1 64 65 TYR . 17489 1 65 66 LYS . 17489 1 66 67 VAL . 17489 1 67 68 GLN . 17489 1 68 69 THR . 17489 1 69 70 GLU . 17489 1 70 71 LYS . 17489 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 17489 1 . GLN 2 2 17489 1 . PRO 3 3 17489 1 . ALA 4 4 17489 1 . LYS 5 5 17489 1 . LYS 6 6 17489 1 . THR 7 7 17489 1 . TYR 8 8 17489 1 . THR 9 9 17489 1 . TRP 10 10 17489 1 . ASN 11 11 17489 1 . THR 12 12 17489 1 . LYS 13 13 17489 1 . GLU 14 14 17489 1 . GLU 15 15 17489 1 . ALA 16 16 17489 1 . LYS 17 17 17489 1 . GLN 18 18 17489 1 . ALA 19 19 17489 1 . PHE 20 20 17489 1 . LYS 21 21 17489 1 . GLU 22 22 17489 1 . ALA 23 23 17489 1 . LEU 24 24 17489 1 . LYS 25 25 17489 1 . GLU 26 26 17489 1 . LYS 27 27 17489 1 . ARG 28 28 17489 1 . VAL 29 29 17489 1 . PRO 30 30 17489 1 . SER 31 31 17489 1 . ASN 32 32 17489 1 . ALA 33 33 17489 1 . SER 34 34 17489 1 . TRP 35 35 17489 1 . GLU 36 36 17489 1 . GLN 37 37 17489 1 . ALA 38 38 17489 1 . MET 39 39 17489 1 . LYS 40 40 17489 1 . MET 41 41 17489 1 . ILE 42 42 17489 1 . ILE 43 43 17489 1 . ASN 44 44 17489 1 . ASP 45 45 17489 1 . PRO 46 46 17489 1 . ARG 47 47 17489 1 . TYR 48 48 17489 1 . SER 49 49 17489 1 . ALA 50 50 17489 1 . LEU 51 51 17489 1 . ALA 52 52 17489 1 . LYS 53 53 17489 1 . LEU 54 54 17489 1 . SER 55 55 17489 1 . GLU 56 56 17489 1 . LYS 57 57 17489 1 . LYS 58 58 17489 1 . GLN 59 59 17489 1 . ALA 60 60 17489 1 . PHE 61 61 17489 1 . ASN 62 62 17489 1 . ALA 63 63 17489 1 . TYR 64 64 17489 1 . LYS 65 65 17489 1 . VAL 66 66 17489 1 . GLN 67 67 17489 1 . THR 68 68 17489 1 . GLU 69 69 17489 1 . LYS 70 70 17489 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 17489 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $FF_Domain_L24A . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17489 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 17489 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $FF_Domain_L24A . 'recombinant technology' 'Escherichia coli' 'Escherichia coli' . 562 Escherichia coli . . . . . . . . . . . . . . . . 'PRSET A' . . . . . . 17489 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17489 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FF_Domain_L24A '[U-13C; U-15N; U-2H]' . . 1 $FF_Domain_L24A . . . 1 2 mM . . . . 17489 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17489 1 3 'sodium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 17489 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17489 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FF_Domain_L24A '[U-100% 13C; U-100% 15N; U-50% 2H]' . . 1 $FF_Domain_L24A . . . 1 2 mM . . . . 17489 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17489 2 3 'sodium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 17489 2 stop_ save_ save_rdc_1 _Sample.Sf_category sample _Sample.Sf_framecode rdc_1 _Sample.Entry_ID 17489 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FF_Domain_L24A '[U-13C; U-15N; U-2H]' . . 1 $FF_Domain_L24A . . . 1 2 mM . . . . 17489 3 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17489 3 3 'sodium acetate' 'natural abundance' . . . . . . 50 . . mM . . . . 17489 3 4 C12E5/n-hexanol 'natural abundance' . . . . . . 5 . . % . . . . 17489 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17489 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 145 . mM 17489 1 pH 5.7 . pH 17489 1 pressure 1 . atm 17489 1 temperature 303 . K 17489 1 stop_ save_ ############################ # Computer software used # ############################ save_CSRosetta _Software.Sf_category software _Software.Sf_framecode CSRosetta _Software.Entry_ID 17489 _Software.ID 1 _Software.Name CS-Rosetta _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Yang Shen, Robert Vernon, David Baker and Ad Bax' . . 17489 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID modeling 17489 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17489 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17489 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17489 2 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 17489 _Software.ID 3 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17489 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17489 3 stop_ save_ save_PALES _Software.Sf_category software _Software.Sf_framecode PALES _Software.Entry_ID 17489 _Software.ID 4 _Software.Name PALES _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Markus Zweckstetter and Ad Bax' . . 17489 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17489 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17489 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17489 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17489 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 17489 1 2 spectrometer_2 Varian INOVA . 500 . . . 17489 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17489 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 CPMG no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17489 1 2 CPMG no . . . . . . . . . . 3 $rdc_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 17489 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17489 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl carbon' . . . . ppm 0 na indirect 1 . . . . . . . . . 17489 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal indirect 1 . . . . . . . . . 17489 1 N 15 DSS nitrogen . . . . ppm 0 na indirect 1 . . . . . . . . . 17489 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17489 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 CPMG . . . 17489 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER C C 13 174.276 . . 2 . . . . 2 SER C . 17489 1 2 . 1 1 2 2 GLN H H 1 8.446 . . 2 . . . . 3 GLN H . 17489 1 3 . 1 1 2 2 GLN HA H 1 4.671 . . 2 . . . . 3 GLN HA . 17489 1 4 . 1 1 2 2 GLN CA C 13 53.944 . . 2 . . . . 3 GLN CA . 17489 1 5 . 1 1 2 2 GLN N N 15 122.894 . . 2 . . . . 3 GLN N . 17489 1 6 . 1 1 3 3 PRO HA H 1 4.420 . . 2 . . . . 4 PRO HA . 17489 1 7 . 1 1 3 3 PRO C C 13 176.649 . . 2 . . . . 4 PRO C . 17489 1 8 . 1 1 3 3 PRO CA C 13 63.389 . . 2 . . . . 4 PRO CA . 17489 1 9 . 1 1 4 4 ALA H H 1 8.358 . . 2 . . . . 5 ALA H . 17489 1 10 . 1 1 4 4 ALA HA H 1 4.285 . . 2 . . . . 5 ALA HA . 17489 1 11 . 1 1 4 4 ALA C C 13 177.820 . . 2 . . . . 5 ALA C . 17489 1 12 . 1 1 4 4 ALA CA C 13 52.373 . . 2 . . . . 5 ALA CA . 17489 1 13 . 1 1 4 4 ALA N N 15 124.657 . . 2 . . . . 5 ALA N . 17489 1 14 . 1 1 5 5 LYS H H 1 8.203 . . 2 . . . . 6 LYS H . 17489 1 15 . 1 1 5 5 LYS HA H 1 4.291 . . 2 . . . . 6 LYS HA . 17489 1 16 . 1 1 5 5 LYS C C 13 176.515 . . 2 . . . . 6 LYS C . 17489 1 17 . 1 1 5 5 LYS CA C 13 56.215 . . 2 . . . . 6 LYS CA . 17489 1 18 . 1 1 5 5 LYS N N 15 121.077 . . 2 . . . . 6 LYS N . 17489 1 19 . 1 1 6 6 LYS H H 1 8.294 . . 2 . . . . 7 LYS H . 17489 1 20 . 1 1 6 6 LYS C C 13 176.320 . . 2 . . . . 7 LYS C . 17489 1 21 . 1 1 6 6 LYS N N 15 123.386 . . 2 . . . . 7 LYS N . 17489 1 22 . 1 1 7 7 THR H H 1 8.009 . . 2 . . . . 8 THR H . 17489 1 23 . 1 1 7 7 THR HA H 1 4.242 . . 2 . . . . 8 THR HA . 17489 1 24 . 1 1 7 7 THR C C 13 173.780 . . 2 . . . . 8 THR C . 17489 1 25 . 1 1 7 7 THR CA C 13 61.576 . . 2 . . . . 8 THR CA . 17489 1 26 . 1 1 7 7 THR N N 15 115.881 . . 2 . . . . 8 THR N . 17489 1 27 . 1 1 8 8 TYR H H 1 8.179 . . 2 . . . . 9 TYR H . 17489 1 28 . 1 1 8 8 TYR HA H 1 4.545 . . 2 . . . . 9 TYR HA . 17489 1 29 . 1 1 8 8 TYR C C 13 175.479 . . 2 . . . . 9 TYR C . 17489 1 30 . 1 1 8 8 TYR CA C 13 57.582 . . 2 . . . . 9 TYR CA . 17489 1 31 . 1 1 8 8 TYR N N 15 122.622 . . 2 . . . . 9 TYR N . 17489 1 32 . 1 1 9 9 THR H H 1 7.862 . . 2 . . . . 10 THR H . 17489 1 33 . 1 1 9 9 THR HA H 1 4.224 . . 2 . . . . 10 THR HA . 17489 1 34 . 1 1 9 9 THR CA C 13 61.570 . . 2 . . . . 10 THR CA . 17489 1 35 . 1 1 9 9 THR N N 15 115.758 . . 2 . . . . 10 THR N . 17489 1 36 . 1 1 10 10 TRP H H 1 7.948 . . 2 . . . . 11 TRP H . 17489 1 37 . 1 1 10 10 TRP HA H 1 4.659 . . 2 . . . A 11 TRP HA . 17489 1 38 . 1 1 10 10 TRP C C 13 175.885 . . 2 . . . A 11 TRP C . 17489 1 39 . 1 1 10 10 TRP CA C 13 57.305 . . 2 . . . A 11 TRP CA . 17489 1 40 . 1 1 10 10 TRP N N 15 122.316 . . 2 . . . A 11 TRP N . 17489 1 41 . 1 1 11 11 ASN H H 1 8.406 . . 2 . . . A 12 ASN H . 17489 1 42 . 1 1 11 11 ASN HA H 1 4.692 . . 2 . . . A 12 ASN HA . 17489 1 43 . 1 1 11 11 ASN CA C 13 53.862 . . 2 . . . A 12 ASN CA . 17489 1 44 . 1 1 11 11 ASN N N 15 119.980 . . 2 . . . A 12 ASN N . 17489 1 45 . 1 1 12 12 THR H H 1 7.868 . . 2 . . . A 13 THR H . 17489 1 46 . 1 1 12 12 THR HA H 1 4.435 . . 2 . . . A 13 THR HA . 17489 1 47 . 1 1 12 12 THR C C 13 174.968 . . 2 . . . A 13 THR C . 17489 1 48 . 1 1 12 12 THR CA C 13 61.114 . . 2 . . . A 13 THR CA . 17489 1 49 . 1 1 12 12 THR N N 15 112.320 . . 2 . . . A 13 THR N . 17489 1 50 . 1 1 13 13 LYS H H 1 9.495 . . 2 . . . A 14 LYS H . 17489 1 51 . 1 1 13 13 LYS HA H 1 4.220 . . 2 . . . A 14 LYS HA . 17489 1 52 . 1 1 13 13 LYS C C 13 177.768 . . 2 . . . A 14 LYS C . 17489 1 53 . 1 1 13 13 LYS CA C 13 58.108 . . 2 . . . A 14 LYS CA . 17489 1 54 . 1 1 13 13 LYS N N 15 122.764 . . 2 . . . A 14 LYS N . 17489 1 55 . 1 1 14 14 GLU H H 1 8.304 . . 2 . . . A 15 GLU H . 17489 1 56 . 1 1 14 14 GLU HA H 1 4.122 . . 2 . . . A 15 GLU HA . 17489 1 57 . 1 1 14 14 GLU C C 13 177.989 . . 2 . . . A 15 GLU C . 17489 1 58 . 1 1 14 14 GLU CA C 13 58.487 . . 2 . . . A 15 GLU CA . 17489 1 59 . 1 1 14 14 GLU N N 15 120.850 . . 2 . . . A 15 GLU N . 17489 1 60 . 1 1 15 15 GLU H H 1 8.165 . . 2 . . . A 16 GLU H . 17489 1 61 . 1 1 15 15 GLU HA H 1 4.195 . . 2 . . . A 16 GLU HA . 17489 1 62 . 1 1 15 15 GLU C C 13 177.809 . . 2 . . . A 16 GLU C . 17489 1 63 . 1 1 15 15 GLU CA C 13 58.063 . . 2 . . . A 16 GLU CA . 17489 1 64 . 1 1 15 15 GLU N N 15 121.042 . . 2 . . . A 16 GLU N . 17489 1 65 . 1 1 16 16 ALA H H 1 7.929 . . 2 . . . A 17 ALA H . 17489 1 66 . 1 1 16 16 ALA HA H 1 3.857 . . 2 . . . A 17 ALA HA . 17489 1 67 . 1 1 16 16 ALA C C 13 178.494 . . 2 . . . A 17 ALA C . 17489 1 68 . 1 1 16 16 ALA CA C 13 54.016 . . 2 . . . A 17 ALA CA . 17489 1 69 . 1 1 16 16 ALA N N 15 123.692 . . 2 . . . A 17 ALA N . 17489 1 70 . 1 1 17 17 LYS H H 1 7.962 . . 2 . . . A 18 LYS H . 17489 1 71 . 1 1 17 17 LYS HA H 1 4.063 . . 2 . . . A 18 LYS HA . 17489 1 72 . 1 1 17 17 LYS C C 13 178.031 . . 2 . . . A 18 LYS C . 17489 1 73 . 1 1 17 17 LYS CA C 13 58.710 . . 2 . . . A 18 LYS CA . 17489 1 74 . 1 1 17 17 LYS N N 15 119.118 . . 2 . . . A 18 LYS N . 17489 1 75 . 1 1 18 18 GLN H H 1 7.999 . . 2 . . . A 19 GLN H . 17489 1 76 . 1 1 18 18 GLN C C 13 176.953 . . 2 . . . A 19 GLN C . 17489 1 77 . 1 1 18 18 GLN CA C 13 57.371 . . 2 . . . A 19 GLN CA . 17489 1 78 . 1 1 18 18 GLN N N 15 119.841 . . 2 . . . A 19 GLN N . 17489 1 79 . 1 1 19 19 ALA H H 1 8.007 . . 2 . . . A 20 ALA H . 17489 1 80 . 1 1 19 19 ALA HA H 1 4.185 . . 2 . . . A 20 ALA HA . 17489 1 81 . 1 1 19 19 ALA C C 13 178.456 . . 2 . . . A 20 ALA C . 17489 1 82 . 1 1 19 19 ALA CA C 13 54.148 . . 2 . . . A 20 ALA CA . 17489 1 83 . 1 1 19 19 ALA N N 15 123.397 . . 2 . . . A 20 ALA N . 17489 1 84 . 1 1 20 20 PHE H H 1 8.049 . . 2 . . . A 21 PHE H . 17489 1 85 . 1 1 20 20 PHE HA H 1 4.327 . . 2 . . . A 21 PHE HA . 17489 1 86 . 1 1 20 20 PHE C C 13 176.183 . . 2 . . . A 21 PHE C . 17489 1 87 . 1 1 20 20 PHE CA C 13 59.670 . . 2 . . . A 21 PHE CA . 17489 1 88 . 1 1 20 20 PHE N N 15 119.266 . . 2 . . . A 21 PHE N . 17489 1 89 . 1 1 21 21 LYS H H 1 7.912 . . 2 . . . A 22 LYS H . 17489 1 90 . 1 1 21 21 LYS HA H 1 3.990 . . 2 . . . A 22 LYS HA . 17489 1 91 . 1 1 21 21 LYS C C 13 178.052 . . 2 . . . A 22 LYS C . 17489 1 92 . 1 1 21 21 LYS CA C 13 58.903 . . 2 . . . A 22 LYS CA . 17489 1 93 . 1 1 21 21 LYS N N 15 120.665 . . 2 . . . A 22 LYS N . 17489 1 94 . 1 1 22 22 GLU H H 1 8.073 . . 2 . . . A 23 GLU H . 17489 1 95 . 1 1 22 22 GLU HA H 1 4.132 . . 2 . . . A 23 GLU HA . 17489 1 96 . 1 1 22 22 GLU C C 13 177.367 . . 2 . . . A 23 GLU C . 17489 1 97 . 1 1 22 22 GLU CA C 13 58.106 . . 2 . . . A 23 GLU CA . 17489 1 98 . 1 1 22 22 GLU N N 15 120.435 . . 2 . . . A 23 GLU N . 17489 1 99 . 1 1 23 23 ALA H H 1 8.057 . . 2 . . . A 24 ALA H . 17489 1 100 . 1 1 23 23 ALA HA H 1 4.099 . . 2 . . . A 24 ALA HA . 17489 1 101 . 1 1 23 23 ALA C C 13 178.713 . . 2 . . . A 24 ALA C . 17489 1 102 . 1 1 23 23 ALA CA C 13 54.248 . . 2 . . . A 24 ALA CA . 17489 1 103 . 1 1 23 23 ALA N N 15 123.786 . . 2 . . . A 24 ALA N . 17489 1 104 . 1 1 24 24 LEU H H 1 7.892 . . 2 . . . A 25 LEU H . 17489 1 105 . 1 1 24 24 LEU C C 13 178.595 . . 2 . . . A 25 LEU C . 17489 1 106 . 1 1 24 24 LEU N N 15 119.319 . . 2 . . . A 25 LEU N . 17489 1 107 . 1 1 25 25 LYS H H 1 7.803 . . 2 . . . A 26 LYS H . 17489 1 108 . 1 1 25 25 LYS HA H 1 4.374 . . 2 . . . A 26 LYS HA . 17489 1 109 . 1 1 25 25 LYS C C 13 177.655 . . 2 . . . A 26 LYS C . 17489 1 110 . 1 1 25 25 LYS CA C 13 58.024 . . 2 . . . A 26 LYS CA . 17489 1 111 . 1 1 25 25 LYS N N 15 120.783 . . 2 . . . A 26 LYS N . 17489 1 112 . 1 1 26 26 GLU H H 1 8.016 . . 2 . . . A 27 GLU H . 17489 1 113 . 1 1 26 26 GLU HA H 1 4.212 . . 2 . . . A 27 GLU HA . 17489 1 114 . 1 1 26 26 GLU C C 13 176.628 . . 2 . . . A 27 GLU C . 17489 1 115 . 1 1 26 26 GLU CA C 13 57.339 . . 2 . . . A 27 GLU CA . 17489 1 116 . 1 1 26 26 GLU N N 15 120.184 . . 2 . . . A 27 GLU N . 17489 1 117 . 1 1 27 27 LYS H H 1 8.101 . . 2 . . . A 28 LYS H . 17489 1 118 . 1 1 27 27 LYS HA H 1 4.265 . . 2 . . . A 28 LYS HA . 17489 1 119 . 1 1 27 27 LYS C C 13 176.019 . . 2 . . . A 28 LYS C . 17489 1 120 . 1 1 27 27 LYS CA C 13 55.918 . . 2 . . . A 28 LYS CA . 17489 1 121 . 1 1 27 27 LYS N N 15 119.854 . . 2 . . . A 28 LYS N . 17489 1 122 . 1 1 28 28 ARG H H 1 8.170 . . 2 . . . A 29 ARG H . 17489 1 123 . 1 1 28 28 ARG HA H 1 4.252 . . 2 . . . A 29 ARG HA . 17489 1 124 . 1 1 28 28 ARG C C 13 176.036 . . 2 . . . A 29 ARG C . 17489 1 125 . 1 1 28 28 ARG CA C 13 56.321 . . 2 . . . A 29 ARG CA . 17489 1 126 . 1 1 28 28 ARG N N 15 120.694 . . 2 . . . A 29 ARG N . 17489 1 127 . 1 1 29 29 VAL H H 1 7.961 . . 2 . . . A 30 VAL H . 17489 1 128 . 1 1 29 29 VAL N N 15 121.196 . . 2 . . . A 30 VAL N . 17489 1 129 . 1 1 30 30 PRO HA H 1 4.416 . . 2 . . . A 31 PRO HA . 17489 1 130 . 1 1 30 30 PRO C C 13 177.177 . . 2 . . . A 31 PRO C . 17489 1 131 . 1 1 30 30 PRO CA C 13 62.849 . . 2 . . . A 31 PRO CA . 17489 1 132 . 1 1 31 31 SER H H 1 8.399 . . 2 . . . A 32 SER H . 17489 1 133 . 1 1 31 31 SER HA H 1 4.322 . . 2 . . . A 32 SER HA . 17489 1 134 . 1 1 31 31 SER C C 13 174.622 . . 2 . . . A 32 SER C . 17489 1 135 . 1 1 31 31 SER CA C 13 59.338 . . 2 . . . A 32 SER CA . 17489 1 136 . 1 1 31 31 SER N N 15 116.064 . . 2 . . . A 32 SER N . 17489 1 137 . 1 1 32 32 ASN H H 1 8.235 . . 2 . . . A 33 ASN H . 17489 1 138 . 1 1 32 32 ASN HA H 1 4.705 . . 2 . . . A 33 ASN HA . 17489 1 139 . 1 1 32 32 ASN C C 13 175.221 . . 2 . . . A 33 ASN C . 17489 1 140 . 1 1 32 32 ASN CA C 13 52.789 . . 2 . . . A 33 ASN CA . 17489 1 141 . 1 1 32 32 ASN N N 15 119.120 . . 2 . . . A 33 ASN N . 17489 1 142 . 1 1 33 33 ALA H H 1 7.948 . . 2 . . . A 34 ALA H . 17489 1 143 . 1 1 33 33 ALA HA H 1 4.289 . . 2 . . . A 34 ALA HA . 17489 1 144 . 1 1 33 33 ALA C C 13 178.235 . . 2 . . . A 34 ALA C . 17489 1 145 . 1 1 33 33 ALA CA C 13 52.847 . . 2 . . . A 34 ALA CA . 17489 1 146 . 1 1 33 33 ALA N N 15 123.533 . . 2 . . . A 34 ALA N . 17489 1 147 . 1 1 34 34 SER H H 1 8.255 . . 2 . . . A 35 SER H . 17489 1 148 . 1 1 34 34 SER HA H 1 4.535 . . 2 . . . A 35 SER HA . 17489 1 149 . 1 1 34 34 SER C C 13 175.129 . . 2 . . . A 35 SER C . 17489 1 150 . 1 1 34 34 SER CA C 13 57.986 . . 2 . . . A 35 SER CA . 17489 1 151 . 1 1 34 34 SER N N 15 115.510 . . 2 . . . A 35 SER N . 17489 1 152 . 1 1 35 35 TRP H H 1 8.083 . . 2 . . . A 36 TRP H . 17489 1 153 . 1 1 35 35 TRP HA H 1 4.313 . . 2 . . . A 36 TRP HA . 17489 1 154 . 1 1 35 35 TRP C C 13 177.081 . . 2 . . . A 36 TRP C . 17489 1 155 . 1 1 35 35 TRP CA C 13 59.360 . . 2 . . . A 36 TRP CA . 17489 1 156 . 1 1 35 35 TRP N N 15 123.351 . . 2 . . . A 36 TRP N . 17489 1 157 . 1 1 36 36 GLU H H 1 8.070 . . 2 . . . A 37 GLU H . 17489 1 158 . 1 1 36 36 GLU HA H 1 3.700 . . 2 . . . A 37 GLU HA . 17489 1 159 . 1 1 36 36 GLU C C 13 178.317 . . 2 . . . A 37 GLU C . 17489 1 160 . 1 1 36 36 GLU CA C 13 59.332 . . 2 . . . A 37 GLU CA . 17489 1 161 . 1 1 36 36 GLU N N 15 119.014 . . 2 . . . A 37 GLU N . 17489 1 162 . 1 1 37 37 GLN H H 1 7.822 . . 2 . . . A 38 GLN H . 17489 1 163 . 1 1 37 37 GLN HA H 1 4.101 . . 2 . . . A 38 GLN HA . 17489 1 164 . 1 1 37 37 GLN C C 13 177.593 . . 2 . . . A 38 GLN C . 17489 1 165 . 1 1 37 37 GLN N N 15 118.887 . . 2 . . . A 38 GLN N . 17489 1 166 . 1 1 38 38 ALA H H 1 8.118 . . 2 . . . A 39 ALA H . 17489 1 167 . 1 1 38 38 ALA HA H 1 4.056 . . 2 . . . A 39 ALA HA . 17489 1 168 . 1 1 38 38 ALA C C 13 179.122 . . 2 . . . A 39 ALA C . 17489 1 169 . 1 1 38 38 ALA CA C 13 54.470 . . 2 . . . A 39 ALA CA . 17489 1 170 . 1 1 38 38 ALA N N 15 122.732 . . 2 . . . A 39 ALA N . 17489 1 171 . 1 1 39 39 MET H H 1 8.003 . . 2 . . . A 40 MET H . 17489 1 172 . 1 1 39 39 MET HA H 1 4.116 . . 2 . . . A 40 MET HA . 17489 1 173 . 1 1 39 39 MET C C 13 177.425 . . 2 . . . A 40 MET C . 17489 1 174 . 1 1 39 39 MET CA C 13 56.856 . . 2 . . . A 40 MET CA . 17489 1 175 . 1 1 39 39 MET N N 15 116.548 . . 2 . . . A 40 MET N . 17489 1 176 . 1 1 40 40 LYS HA H 1 4.035 . . 2 . . . A 41 LYS HA . 17489 1 177 . 1 1 40 40 LYS C C 13 177.546 . . 2 . . . A 41 LYS C . 17489 1 178 . 1 1 40 40 LYS CA C 13 58.454 . . 2 . . . A 41 LYS CA . 17489 1 179 . 1 1 40 40 LYS N N 15 119.136 . . 2 . . . A 41 LYS N . 17489 1 180 . 1 1 41 41 MET H H 1 7.732 . . 2 . . . A 42 MET H . 17489 1 181 . 1 1 41 41 MET HA H 1 4.309 . . 2 . . . A 42 MET HA . 17489 1 182 . 1 1 41 41 MET C C 13 177.178 . . 2 . . . A 42 MET C . 17489 1 183 . 1 1 41 41 MET CA C 13 57.094 . . 2 . . . A 42 MET CA . 17489 1 184 . 1 1 41 41 MET N N 15 117.901 . . 2 . . . A 42 MET N . 17489 1 185 . 1 1 42 42 ILE H H 1 7.766 . . 2 . . . A 43 ILE H . 17489 1 186 . 1 1 42 42 ILE HA H 1 4.054 . . 2 . . . A 43 ILE HA . 17489 1 187 . 1 1 42 42 ILE C C 13 176.560 . . 2 . . . A 43 ILE C . 17489 1 188 . 1 1 42 42 ILE N N 15 119.588 . . 2 . . . A 43 ILE N . 17489 1 189 . 1 1 43 43 ILE H H 1 7.899 . . 2 . . . A 44 ILE H . 17489 1 190 . 1 1 43 43 ILE C C 13 176.056 . . 2 . . . A 44 ILE C . 17489 1 191 . 1 1 43 43 ILE N N 15 120.275 . . 2 . . . A 44 ILE N . 17489 1 192 . 1 1 44 44 ASN H H 1 7.900 . . 2 . . . A 45 ASN H . 17489 1 193 . 1 1 44 44 ASN HA H 1 4.711 . . 2 . . . A 45 ASN HA . 17489 1 194 . 1 1 44 44 ASN CA C 13 53.323 . . 2 . . . A 45 ASN CA . 17489 1 195 . 1 1 44 44 ASN N N 15 119.135 . . 2 . . . A 45 ASN N . 17489 1 196 . 1 1 45 45 ASP H H 1 7.854 . . 2 . . . A 46 ASP H . 17489 1 197 . 1 1 45 45 ASP HA H 1 4.997 . . 2 . . . A 46 ASP HA . 17489 1 198 . 1 1 45 45 ASP CA C 13 51.864 . . 2 . . . A 46 ASP CA . 17489 1 199 . 1 1 45 45 ASP N N 15 122.730 . . 2 . . . A 46 ASP N . 17489 1 200 . 1 1 46 46 PRO HA H 1 4.420 . . 2 . . . A 47 PRO HA . 17489 1 201 . 1 1 46 46 PRO C C 13 178.053 . . 2 . . . A 47 PRO C . 17489 1 202 . 1 1 46 46 PRO CA C 13 64.209 . . 2 . . . A 47 PRO CA . 17489 1 203 . 1 1 47 47 ARG H H 1 8.341 . . 2 . . . A 48 ARG H . 17489 1 204 . 1 1 47 47 ARG HA H 1 4.061 . . 2 . . . A 48 ARG HA . 17489 1 205 . 1 1 47 47 ARG C C 13 177.487 . . 2 . . . A 48 ARG C . 17489 1 206 . 1 1 47 47 ARG CA C 13 57.229 . . 2 . . . A 48 ARG CA . 17489 1 207 . 1 1 47 47 ARG N N 15 118.377 . . 2 . . . A 48 ARG N . 17489 1 208 . 1 1 48 48 TYR H H 1 7.706 . . 2 . . . A 49 TYR H . 17489 1 209 . 1 1 48 48 TYR HA H 1 4.604 . . 2 . . . A 49 TYR HA . 17489 1 210 . 1 1 48 48 TYR C C 13 176.515 . . 2 . . . A 49 TYR C . 17489 1 211 . 1 1 48 48 TYR CA C 13 58.172 . . 2 . . . A 49 TYR CA . 17489 1 212 . 1 1 48 48 TYR N N 15 117.876 . . 2 . . . A 49 TYR N . 17489 1 213 . 1 1 49 49 SER H H 1 7.865 . . 2 . . . A 50 SER H . 17489 1 214 . 1 1 49 49 SER HA H 1 4.275 . . 2 . . . A 50 SER HA . 17489 1 215 . 1 1 49 49 SER C C 13 175.374 . . 2 . . . A 50 SER C . 17489 1 216 . 1 1 49 49 SER CA C 13 60.656 . . 2 . . . A 50 SER CA . 17489 1 217 . 1 1 49 49 SER N N 15 115.731 . . 2 . . . A 50 SER N . 17489 1 218 . 1 1 50 50 ALA H H 1 8.236 . . 2 . . . A 51 ALA H . 17489 1 219 . 1 1 50 50 ALA HA H 1 4.240 . . 2 . . . A 51 ALA HA . 17489 1 220 . 1 1 50 50 ALA C C 13 178.939 . . 2 . . . A 51 ALA C . 17489 1 221 . 1 1 50 50 ALA CA C 13 53.898 . . 2 . . . A 51 ALA CA . 17489 1 222 . 1 1 50 50 ALA N N 15 124.648 . . 2 . . . A 51 ALA N . 17489 1 223 . 1 1 51 51 LEU H H 1 7.863 . . 2 . . . A 52 LEU H . 17489 1 224 . 1 1 51 51 LEU C C 13 178.032 . . 2 . . . A 52 LEU C . 17489 1 225 . 1 1 51 51 LEU N N 15 118.847 . . 2 . . . A 52 LEU N . 17489 1 226 . 1 1 52 52 ALA H H 1 7.812 . . 2 . . . A 53 ALA H . 17489 1 227 . 1 1 52 52 ALA HA H 1 4.187 . . 2 . . . A 53 ALA HA . 17489 1 228 . 1 1 52 52 ALA C C 13 178.553 . . 2 . . . A 53 ALA C . 17489 1 229 . 1 1 52 52 ALA CA C 13 53.690 . . 2 . . . A 53 ALA CA . 17489 1 230 . 1 1 52 52 ALA N N 15 122.637 . . 2 . . . A 53 ALA N . 17489 1 231 . 1 1 53 53 LYS H H 1 7.829 . . 2 . . . A 54 LYS H . 17489 1 232 . 1 1 53 53 LYS HA H 1 4.230 . . 2 . . . A 54 LYS HA . 17489 1 233 . 1 1 53 53 LYS C C 13 177.462 . . 2 . . . A 54 LYS C . 17489 1 234 . 1 1 53 53 LYS CA C 13 56.909 . . 2 . . . A 54 LYS CA . 17489 1 235 . 1 1 53 53 LYS N N 15 118.359 . . 2 . . . A 54 LYS N . 17489 1 236 . 1 1 54 54 LEU H H 1 7.740 . . 2 . . . A 55 LEU H . 17489 1 237 . 1 1 54 54 LEU C C 13 177.949 . . 2 . . . A 55 LEU C . 17489 1 238 . 1 1 54 54 LEU N N 15 121.619 . . 2 . . . A 55 LEU N . 17489 1 239 . 1 1 55 55 SER H H 1 7.965 . . 2 . . . A 56 SER H . 17489 1 240 . 1 1 55 55 SER HA H 1 4.233 . . 2 . . . A 56 SER HA . 17489 1 241 . 1 1 55 55 SER CA C 13 59.078 . . 2 . . . A 56 SER CA . 17489 1 242 . 1 1 55 55 SER N N 15 115.311 . . 2 . . . A 56 SER N . 17489 1 243 . 1 1 56 56 GLU H H 1 8.059 . . 2 . . . A 57 GLU H . 17489 1 244 . 1 1 56 56 GLU CA C 13 56.682 . . 2 . . . A 57 GLU CA . 17489 1 245 . 1 1 56 56 GLU N N 15 122.414 . . 2 . . . A 57 GLU N . 17489 1 246 . 1 1 57 57 LYS H H 1 8.097 . . 2 . . . A 58 LYS H . 17489 1 247 . 1 1 57 57 LYS C C 13 176.820 . . 2 . . . A 58 LYS C . 17489 1 248 . 1 1 57 57 LYS CA C 13 56.768 . . 2 . . . A 58 LYS CA . 17489 1 249 . 1 1 57 57 LYS N N 15 121.832 . . 2 . . . A 58 LYS N . 17489 1 250 . 1 1 58 58 LYS H H 1 8.205 . . 2 . . . A 59 LYS H . 17489 1 251 . 1 1 58 58 LYS HA H 1 4.309 . . 2 . . . A 59 LYS HA . 17489 1 252 . 1 1 58 58 LYS C C 13 177.035 . . 2 . . . A 59 LYS C . 17489 1 253 . 1 1 58 58 LYS CA C 13 56.998 . . 2 . . . A 59 LYS CA . 17489 1 254 . 1 1 58 58 LYS N N 15 122.051 . . 2 . . . A 59 LYS N . 17489 1 255 . 1 1 59 59 GLN H H 1 8.254 . . 2 . . . . 60 GLN H . 17489 1 256 . 1 1 59 59 GLN HA H 1 4.255 . . 2 . . . . 60 GLN HA . 17489 1 257 . 1 1 59 59 GLN C C 13 176.011 . . 2 . . . . 60 GLN C . 17489 1 258 . 1 1 59 59 GLN CA C 13 56.794 . . 2 . . . . 60 GLN CA . 17489 1 259 . 1 1 59 59 GLN N N 15 121.104 . . 2 . . . . 60 GLN N . 17489 1 260 . 1 1 60 60 ALA H H 1 8.231 . . 2 . . . . 61 ALA H . 17489 1 261 . 1 1 60 60 ALA HA H 1 4.300 . . 2 . . . . 61 ALA HA . 17489 1 262 . 1 1 60 60 ALA C C 13 177.717 . . 2 . . . . 61 ALA C . 17489 1 263 . 1 1 60 60 ALA CA C 13 52.834 . . 2 . . . . 61 ALA CA . 17489 1 264 . 1 1 60 60 ALA N N 15 124.802 . . 2 . . . . 61 ALA N . 17489 1 265 . 1 1 61 61 PHE H H 1 7.993 . . 2 . . . . 62 PHE H . 17489 1 266 . 1 1 61 61 PHE HA H 1 4.707 . . 2 . . . . 62 PHE HA . 17489 1 267 . 1 1 61 61 PHE C C 13 175.564 . . 2 . . . . 62 PHE C . 17489 1 268 . 1 1 61 61 PHE CA C 13 58.160 . . 2 . . . . 62 PHE CA . 17489 1 269 . 1 1 61 61 PHE N N 15 119.423 . . 2 . . . . 62 PHE N . 17489 1 270 . 1 1 62 62 ASN H H 1 8.107 . . 2 . . . . 63 ASN H . 17489 1 271 . 1 1 62 62 ASN HA H 1 4.564 . . 2 . . . . 63 ASN HA . 17489 1 272 . 1 1 62 62 ASN CA C 13 53.382 . . 2 . . . . 63 ASN CA . 17489 1 273 . 1 1 62 62 ASN N N 15 120.572 . . 2 . . . . 63 ASN N . 17489 1 274 . 1 1 63 63 ALA H H 1 7.983 . . 2 . . . . 64 ALA H . 17489 1 275 . 1 1 63 63 ALA HA H 1 4.189 . . 2 . . . . 64 ALA HA . 17489 1 276 . 1 1 63 63 ALA C C 13 177.560 . . 2 . . . . 64 ALA C . 17489 1 277 . 1 1 63 63 ALA CA C 13 52.942 . . 2 . . . . 64 ALA CA . 17489 1 278 . 1 1 63 63 ALA N N 15 124.013 . . 2 . . . . 64 ALA N . 17489 1 279 . 1 1 64 64 TYR H H 1 7.884 . . 2 . . . . 65 TYR H . 17489 1 280 . 1 1 64 64 TYR HA H 1 4.483 . . 2 . . . . 65 TYR HA . 17489 1 281 . 1 1 64 64 TYR C C 13 175.714 . . 2 . . . . 65 TYR C . 17489 1 282 . 1 1 64 64 TYR CA C 13 58.003 . . 2 . . . . 65 TYR CA . 17489 1 283 . 1 1 64 64 TYR N N 15 118.567 . . 2 . . . . 65 TYR N . 17489 1 284 . 1 1 65 65 LYS H H 1 7.838 . . 2 . . . . 66 LYS H . 17489 1 285 . 1 1 65 65 LYS HA H 1 4.287 . . 2 . . . . 66 LYS HA . 17489 1 286 . 1 1 65 65 LYS C C 13 176.091 . . 2 . . . . 66 LYS C . 17489 1 287 . 1 1 65 65 LYS CA C 13 56.331 . . 2 . . . . 66 LYS CA . 17489 1 288 . 1 1 65 65 LYS N N 15 123.002 . . 2 . . . . 66 LYS N . 17489 1 289 . 1 1 66 66 VAL H H 1 8.028 . . 2 . . . . 67 VAL H . 17489 1 290 . 1 1 66 66 VAL HA H 1 4.048 . . 2 . . . . 67 VAL HA . 17489 1 291 . 1 1 66 66 VAL C C 13 176.271 . . 2 . . . . 67 VAL C . 17489 1 292 . 1 1 66 66 VAL N N 15 121.481 . . 2 . . . . 67 VAL N . 17489 1 293 . 1 1 67 67 GLN H H 1 8.407 . . 2 . . . . 68 GLN H . 17489 1 294 . 1 1 67 67 GLN C C 13 176.014 . . 2 . . . . 68 GLN C . 17489 1 295 . 1 1 67 67 GLN CA C 13 55.833 . . 2 . . . . 68 GLN CA . 17489 1 296 . 1 1 67 67 GLN N N 15 124.246 . . 2 . . . . 68 GLN N . 17489 1 297 . 1 1 68 68 THR H H 1 8.116 . . 2 . . . . 69 THR H . 17489 1 298 . 1 1 68 68 THR HA H 1 4.319 . . 2 . . . . 69 THR HA . 17489 1 299 . 1 1 68 68 THR C C 13 174.445 . . 2 . . . . 69 THR C . 17489 1 300 . 1 1 68 68 THR CA C 13 61.701 . . 2 . . . . 69 THR CA . 17489 1 301 . 1 1 68 68 THR N N 15 115.678 . . 2 . . . . 69 THR N . 17489 1 302 . 1 1 69 69 GLU H H 1 8.346 . . 2 . . . . 70 GLU H . 17489 1 303 . 1 1 69 69 GLU C C 13 175.606 . . 2 . . . . 70 GLU C . 17489 1 304 . 1 1 69 69 GLU CA C 13 56.337 . . 2 . . . . 70 GLU CA . 17489 1 305 . 1 1 69 69 GLU N N 15 123.699 . . 2 . . . . 70 GLU N . 17489 1 306 . 1 1 70 70 LYS H H 1 7.599 . . 2 . . . . 71 LYS H . 17489 1 307 . 1 1 70 70 LYS HA H 1 4.146 . . 2 . . . . 71 LYS HA . 17489 1 308 . 1 1 70 70 LYS CA C 13 57.590 . . 2 . . . . 71 LYS CA . 17489 1 309 . 1 1 70 70 LYS N N 15 126.692 . . 2 . . . . 71 LYS N . 17489 1 stop_ save_ ################################ # Residual dipolar couplings # ################################ save_RDC_list_1 _RDC_list.Sf_category RDCs _RDC_list.Sf_framecode RDC_list_1 _RDC_list.Entry_ID 17489 _RDC_list.ID 1 _RDC_list.Sample_condition_list_ID 1 _RDC_list.Sample_condition_list_label $sample_conditions_1 _RDC_list.Spectrometer_frequency_1H 800 _RDC_list.Bond_length_usage_flag . _RDC_list.Dipolar_constraint_calib_method . _RDC_list.Mol_align_tensor_axial_sym_mol . _RDC_list.Mol_align_tensor_rhombic_mol . _RDC_list.General_order_param_int_motions . _RDC_list.Assumed_H_N_bond_length . _RDC_list.Assumed_H_C_bond_length . _RDC_list.Assumed_C_N_bond_length . _RDC_list.Details . _RDC_list.Text_data_format . _RDC_list.Text_data . loop_ _RDC_experiment.Experiment_ID _RDC_experiment.Experiment_name _RDC_experiment.Sample_ID _RDC_experiment.Sample_label _RDC_experiment.Sample_state _RDC_experiment.Entry_ID _RDC_experiment.RDC_list_ID 2 CPMG . . . 17489 1 stop_ loop_ _RDC.ID _RDC.RDC_code _RDC.Assembly_atom_ID_1 _RDC.Entity_assembly_ID_1 _RDC.Entity_ID_1 _RDC.Comp_index_ID_1 _RDC.Seq_ID_1 _RDC.Comp_ID_1 _RDC.Atom_ID_1 _RDC.Atom_type_1 _RDC.Atom_isotope_number_1 _RDC.Ambiguity_code_1 _RDC.Assembly_atom_ID_2 _RDC.Entity_assembly_ID_2 _RDC.Entity_ID_2 _RDC.Comp_index_ID_2 _RDC.Seq_ID_2 _RDC.Comp_ID_2 _RDC.Atom_ID_2 _RDC.Atom_type_2 _RDC.Atom_isotope_number_2 _RDC.Ambiguity_code_2 _RDC.Val _RDC.Val_min _RDC.Val_max _RDC.Val_err _RDC.Val_bond_length _RDC.Resonance_ID_1 _RDC.Resonance_ID_2 _RDC.Auth_entity_assembly_ID_1 _RDC.Auth_seq_ID_1 _RDC.Auth_comp_ID_1 _RDC.Auth_atom_ID_1 _RDC.Auth_entity_assembly_ID_2 _RDC.Auth_seq_ID_2 _RDC.Auth_comp_ID_2 _RDC.Auth_atom_ID_2 _RDC.Entry_ID _RDC.RDC_list_ID 1 DNH . 1 1 11 11 ASN N N 15 . . 1 1 11 11 ASN H H 1 . 1.079 . . 1.478 . . . 1 12 ASN N 1 12 ASN H 17489 1 2 DNH . 1 1 12 12 THR N N 15 . . 1 1 12 12 THR H H 1 . 2.016 . . 5.086 . . . 1 13 THR N 1 13 THR H 17489 1 3 DNH . 1 1 13 13 LYS N N 15 . . 1 1 13 13 LYS H H 1 . -17.537 . . 4.365 . . . 1 14 LYS N 1 14 LYS H 17489 1 4 DNH . 1 1 14 14 GLU N N 15 . . 1 1 14 14 GLU H H 1 . 1.441 . . 2.925 . . . 1 15 GLU N 1 15 GLU H 17489 1 5 DNH . 1 1 15 15 GLU N N 15 . . 1 1 15 15 GLU H H 1 . 3.234 . . 2.043 . . . 1 16 GLU N 1 16 GLU H 17489 1 6 DNH . 1 1 16 16 ALA N N 15 . . 1 1 16 16 ALA H H 1 . -0.806 . . 1.872 . . . 1 17 ALA N 1 17 ALA H 17489 1 7 DNH . 1 1 17 17 LYS N N 15 . . 1 1 17 17 LYS H H 1 . -1.905 . . 3.034 . . . 1 18 LYS N 1 18 LYS H 17489 1 8 DNH . 1 1 18 18 GLN N N 15 . . 1 1 18 18 GLN H H 1 . -0.014 . . 2.635 . . . 1 19 GLN N 1 19 GLN H 17489 1 9 DNH . 1 1 19 19 ALA N N 15 . . 1 1 19 19 ALA H H 1 . 0.771 . . 1.573 . . . 1 20 ALA N 1 20 ALA H 17489 1 10 DNH . 1 1 20 20 PHE N N 15 . . 1 1 20 20 PHE H H 1 . 0.711 . . 1.565 . . . 1 21 PHE N 1 21 PHE H 17489 1 11 DNH . 1 1 21 21 LYS N N 15 . . 1 1 21 21 LYS H H 1 . -1.526 . . 7.526 . . . 1 22 LYS N 1 22 LYS H 17489 1 12 DNH . 1 1 22 22 GLU N N 15 . . 1 1 22 22 GLU H H 1 . 3.963 . . 1.631 . . . 1 23 GLU N 1 23 GLU H 17489 1 13 DNH . 1 1 23 23 ALA N N 15 . . 1 1 23 23 ALA H H 1 . 3.521 . . 1.829 . . . 1 24 ALA N 1 24 ALA H 17489 1 14 DNH . 1 1 24 24 LEU N N 15 . . 1 1 24 24 LEU H H 1 . -0.176 . . 5.907 . . . 1 25 LEU N 1 25 LEU H 17489 1 15 DNH . 1 1 25 25 LYS N N 15 . . 1 1 25 25 LYS H H 1 . 1.031 . . 5.137 . . . 1 26 LYS N 1 26 LYS H 17489 1 16 DNH . 1 1 26 26 GLU N N 15 . . 1 1 26 26 GLU H H 1 . 9.318 . . 3.098 . . . 1 27 GLU N 1 27 GLU H 17489 1 17 DNH . 1 1 27 27 LYS N N 15 . . 1 1 27 27 LYS H H 1 . 9.211 . . 4.894 . . . 1 28 LYS N 1 28 LYS H 17489 1 18 DNH . 1 1 28 28 ARG N N 15 . . 1 1 28 28 ARG H H 1 . -9.101 . . 6.151 . . . 1 29 ARG N 1 29 ARG H 17489 1 19 DNH . 1 1 29 29 VAL N N 15 . . 1 1 29 29 VAL H H 1 . 9.708 . . 2.403 . . . 1 30 VAL N 1 30 VAL H 17489 1 20 DNH . 1 1 31 31 SER N N 15 . . 1 1 31 31 SER H H 1 . 10.128 . . 1.590 . . . 1 32 SER N 1 32 SER H 17489 1 21 DNH . 1 1 32 32 ASN N N 15 . . 1 1 32 32 ASN H H 1 . 5.554 . . 6.411 . . . 1 33 ASN N 1 33 ASN H 17489 1 22 DNH . 1 1 33 33 ALA N N 15 . . 1 1 33 33 ALA H H 1 . 21.532 . . 1.675 . . . 1 34 ALA N 1 34 ALA H 17489 1 23 DNH . 1 1 34 34 SER N N 15 . . 1 1 34 34 SER H H 1 . -32.281 . . 4.604 . . . 1 35 SER N 1 35 SER H 17489 1 24 DNH . 1 1 35 35 TRP N N 15 . . 1 1 35 35 TRP H H 1 . 47.220 . . 2.146 . . . 1 36 TRP N 1 36 TRP H 17489 1 25 DNH . 1 1 36 36 GLU N N 15 . . 1 1 36 36 GLU H H 1 . 38.508 . . 4.005 . . . 1 37 GLU N 1 37 GLU H 17489 1 26 DNH . 1 1 37 37 GLN N N 15 . . 1 1 37 37 GLN H H 1 . 53.201 . . 2.094 . . . 1 38 GLN N 1 38 GLN H 17489 1 27 DNH . 1 1 38 38 ALA N N 15 . . 1 1 38 38 ALA H H 1 . 51.472 . . 2.126 . . . 1 39 ALA N 1 39 ALA H 17489 1 28 DNH . 1 1 39 39 MET N N 15 . . 1 1 39 39 MET H H 1 . 45.656 . . 2.130 . . . 1 40 MET N 1 40 MET H 17489 1 29 DNH . 1 1 40 40 LYS N N 15 . . 1 1 40 40 LYS H H 1 . 57.590 . . 6.676 . . . 1 41 LYS N 1 41 LYS H 17489 1 30 DNH . 1 1 41 41 MET N N 15 . . 1 1 41 41 MET H H 1 . 63.045 . . 4.906 . . . 1 42 MET N 1 42 MET H 17489 1 31 DNH . 1 1 42 42 ILE N N 15 . . 1 1 42 42 ILE H H 1 . 61.416 . . 16.518 . . . 1 43 ILE N 1 43 ILE H 17489 1 32 DNH . 1 1 43 43 ILE N N 15 . . 1 1 43 43 ILE H H 1 . 73.910 . . 6.160 . . . 1 44 ILE N 1 44 ILE H 17489 1 33 DNH . 1 1 44 44 ASN N N 15 . . 1 1 44 44 ASN H H 1 . 42.142 . . 4.272 . . . 1 45 ASN N 1 45 ASN H 17489 1 34 DNH . 1 1 45 45 ASP N N 15 . . 1 1 45 45 ASP H H 1 . -12.719 . . 4.373 . . . 1 46 ASP N 1 46 ASP H 17489 1 35 DNH . 1 1 47 47 ARG N N 15 . . 1 1 47 47 ARG H H 1 . 24.749 . . 3.824 . . . 1 48 ARG N 1 48 ARG H 17489 1 36 DNH . 1 1 48 48 TYR N N 15 . . 1 1 48 48 TYR H H 1 . -11.945 . . 4.375 . . . 1 49 TYR N 1 49 TYR H 17489 1 37 DNH . 1 1 49 49 SER N N 15 . . 1 1 49 49 SER H H 1 . 11.655 . . 14.690 . . . 1 50 SER N 1 50 SER H 17489 1 38 DNH . 1 1 50 50 ALA N N 15 . . 1 1 50 50 ALA H H 1 . 1.815 . . 2.039 . . . 1 51 ALA N 1 51 ALA H 17489 1 39 DNH . 1 1 51 51 LEU N N 15 . . 1 1 51 51 LEU H H 1 . 3.906 . . 11.326 . . . 1 52 LEU N 1 52 LEU H 17489 1 40 DNH . 1 1 52 52 ALA N N 15 . . 1 1 52 52 ALA H H 1 . 24.342 . . 5.429 . . . 1 53 ALA N 1 53 ALA H 17489 1 41 DNH . 1 1 53 53 LYS N N 15 . . 1 1 53 53 LYS H H 1 . 6.390 . . 3.516 . . . 1 54 LYS N 1 54 LYS H 17489 1 42 DNH . 1 1 54 54 LEU N N 15 . . 1 1 54 54 LEU H H 1 . 0.806 . . 12.195 . . . 1 55 LEU N 1 55 LEU H 17489 1 43 DNH . 1 1 55 55 SER N N 15 . . 1 1 55 55 SER H H 1 . 18.580 . . 5.480 . . . 1 56 SER N 1 56 SER H 17489 1 44 DNH . 1 1 56 56 GLU N N 15 . . 1 1 56 56 GLU H H 1 . 7.898 . . 1.621 . . . 1 57 GLU N 1 57 GLU H 17489 1 45 DNH . 1 1 58 58 LYS N N 15 . . 1 1 58 58 LYS H H 1 . 3.165 . . 11.273 . . . 1 59 LYS N 1 59 LYS H 17489 1 stop_ save_